CHEBI:102599 - 2-[(2S,4aR,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

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ChEBI Name 2-[(2S,4aR,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
ChEBI ID CHEBI:102599
Stars This entity has been manually annotated by a third party.
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Formula C23H23ClN2O6
Net Charge 0
Average Mass 458.892
Monoisotopic Mass 458.12446
InChI InChI=1S/C23H23ClN2O6/c1-26-18-8-7-16(11-21(27)28)32-20(18)12-31-19-9-6-15(10-17(19)23(26)30)25-22(29)13-2-4-14(24)5-3-13/h2-6,9-10,16,18,20H,7-8,11-12H2,1H3,(H,25,29)(H,27,28)/t16-,18+,20-/m0/s1
InChIKey SDVZNQMNQVCLRJ-HQRMLTQVSA-N
SMILES CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)CC(=O)O
ChEBI Ontology
Outgoing 2-[(2S,4aR,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid (CHEBI:102599) is a carbonyl compound (CHEBI:36586)
2-[(2S,4aR,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid (CHEBI:102599) is a organohalogen compound (CHEBI:17792)
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